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DocumentationIdentifier: MM437017
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM437017 |
| SMILES |
O=CNCC=C(CO)CO
|
| InChIKey |
WPKARBYULFXQBU-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM171060
Similarity: 0.9091
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| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8901 |
| Dice metric | 0.8841 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM324670
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| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8434 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+430 more
